SCHEMBL8809251

SCHEMBL8809251

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccco1)NCCCCCCc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ASAH1 Q13510 4/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NAMPT P43490 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G7 Q13093 1/20 0.36
PTBP1 P26599 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
CHRNA7 P36544 1/20 0.36
EPHX2 P34913 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8811739 0.92 SMN1; SMN2 (0.44) KMT2AHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8591251 0.91 HRH3 (0.39) MEN1KMT2ACYP2C19ASAH1HPGD
SCHEMBL8443653 0.88 KMT2A (0.46) MEN1KMT2AASAH1ALDH1A1TDP1
SCHEMBL8592460 0.87 ASAH1 (0.37) MEN1KMT2AASAH1ALDH1A1NAMPT
SCHEMBL8595503 0.85 POLB (0.39) ASAH1ALDH1A1NAMPTPLA2G7TDP1
SCHEMBL8439456 0.84 KDM4E (0.40) MEN1KMT2AALDH1A1NAMPTPLA2G7
SCHEMBL8108487 0.84 TSHR (0.43) MEN1KMT2AASAH1ALDH1A1NAMPT
SCHEMBL8443006 0.83 POLB (0.41) CYP2C19ALDH1A1TDP1POLBKDM4E
SCHEMBL8441254 0.82 MEN1 (0.39) MEN1KMT2AASAH1ALDH1A1NAMPT
SCHEMBL8594638 0.82 PLA2G7 (0.41) MEN1KMT2ACYP2D6CYP2C19ASAH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed